3-[(2S)-1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-2-yl]-5-(4-fluorophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(2S)-1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-2-yl]-5-(4-fluorophenyl)-4H-1,2,4-triazole
3-[(2S)-1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-2-yl]-5-(4-fluorophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | P930-5514 |
| Compound Name: | 3-[(2S)-1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-2-yl]-5-(4-fluorophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 432.47 |
| Molecular Formula: | C20 H21 F N4 O4 S |
| Smiles: | COc1ccc(c(c1)S(N1CCC[C@H]1c1nnc(c2ccc(cc2)F)[nH]1)(=O)=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 2.6385 |
| logD: | 2.6029 |
| logSw: | -3.1006 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.474 |
| InChI Key: | RHVLJVRFJVETCV-INIZCTEOSA-N |